Structure Database (LMSD)

OH O
Common Name
2E,4E-tetradecadienoic acid
Systematic Name
2E,4E-tetradecadienoic acid
Synonyms
  • C14:2n-10,12
LM ID
LMFA01030252
Formula
Exact Mass
Calculate m/z
224.17763
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
WNLVXSRACLAFOL-AQASXUMVSA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h10-13H,2-9H2,1H3,(H,15,16)/b11-10+,13-12+
SMILES (Click to copy)
C(/C=C/C=C/CCCCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
6315
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 260.42
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.32
Molar Refractivity 68.53

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022